%chk=000048815.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048815

0 1
 O   0.8623000     -0.3154000       2.400000    
 O   0.9523000     -0.5990000      -2.384400    
 O    3.701300       2.267700     -0.1010000    
 N    2.293300      0.9334000       1.125200    
 N    2.339500      0.7927000      -1.213200    
 C   0.9158000     -0.8096000      2.8700000E-02
 C  -0.5763000     -0.9356000      8.0000004E-03
 C    1.534000      -2.213400      0.1240000    
 C    1.333100     -4.8300002E-02   1.292300    
 C    1.382500     -0.2023000      -1.299200    
 C   -1.418600      0.1882000      3.9999999E-04
 C   -1.109300      -2.224800     -2.4999999E-03
 C    3.044100      -2.139300      0.1813000    
 C   -2.821400      1.5000000E-03 -1.8300001E-02
 C  -0.8995000       1.493000      1.0800000E-02
 C    2.841700       1.385400     -6.4999998E-02
 C   -2.488800      -2.408400     -2.0800000E-02
 C   -3.340500      -1.303400     -2.8600000E-02
 C   -3.663700       1.125200     -2.5699999E-02
 C   -1.751200       2.598000      3.1000001E-03
 C   -3.130600       2.414400     -1.5100000E-02
 H    1.304700      -2.829600     -0.7563000    
 H    1.221000      -2.746100       1.032600    
 H  -0.5519000      -3.152000     -2.7999999E-03
 H    3.482100      -1.680900     -0.7097000    
 H    3.411200      -1.613600       1.067200    
 H    3.451700      -3.155800      0.2367000    
 H    2.612800       1.397600       1.970900    
 H    2.693000       1.153300      -2.095100    
 H   0.1497000       1.734400     -1.5000000E-03
 H   -2.905500      -3.411600     -3.0200001E-02
 H   -4.415500      -1.470600     -4.3099999E-02
 H   -4.745000       1.005500     -4.0199999E-02
 H   -1.338100       3.602600      5.2999998E-03
 H   -3.793100       3.275100     -2.2600001E-02


%chk=000048815-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048815

0 1
O 1.002363 -0.477214 2.480616
O 1.052153 -0.592084 -2.398932
O 3.708098 2.370483 -0.000122
N 2.329342 0.913920 1.201604
N 2.354116 0.857981 -1.160035
C 0.937363 -0.849183 0.047335
C -0.609548 -0.988329 0.035104
C 1.663408 -2.254499 0.087365
C 1.385569 -0.126127 1.338889
C 1.413177 -0.188160 -1.267519
C -1.454356 0.190314 -0.011475
C -1.211366 -2.249795 0.068576
C 3.205314 -2.199589 0.100004
C -2.896545 0.020742 -0.022223
C -0.949166 1.534134 -0.049012
C 2.861399 1.442837 0.013087
C -2.630121 -2.410794 0.058797
C -3.460264 -1.295439 0.014017
C -3.749348 1.172586 -0.069304
C -1.801954 2.638797 -0.094824
C -3.218933 2.461983 -0.105410
H 1.324349 -2.816854 -0.800750
H 1.308057 -2.775084 0.994339
H -0.602304 -3.154879 0.103365
H 3.615240 -1.709726 -0.801308
H 3.600040 -1.677976 0.990281
H 3.604846 -3.228615 0.121786
H 2.662938 1.349008 2.068584
H 2.706002 1.251593 -2.039499
H 0.126954 1.721554 -0.042827
H -3.053684 -3.420063 0.086600
H -4.550871 -1.406280 0.005477
H -4.834926 1.018160 -0.076615
H -1.381388 3.649773 -0.123098
H -3.878854 3.335125 -0.141675


